| 1207377-06-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• CAS: 1207377-06-7
• 化学式: C₁₈H₂₅NO₆
• 分子量: 351.4
• InChiKey: GYFDHLYCQAWFDW-JMGFVUJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.94
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  91.06
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 Amberlyst 15 作用下， 以 水 、 乙腈 为溶剂， 反应 5.0h， 以48 mg的产率得到(6aS,9R,10R,10aS)-2-hydroxy-6,6-dimethyl-10-nitro-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-9-carbaldehyde
  参考文献：
  名称：

  Enantioselective Total Synthesis of (+)-Conicol via Cascade Three-Component Organocatalysis

  摘要：

  The first asymmetric total synthesis of (+)-conicol has been achieved via a key step reaction involving the organocatalytic domino oxa-Michael-Michael-Michael-aldol condensation of 2-((E)-2-nitrovinyl)benzene-1,4-diol and alpha,beta-unsaturated aldehydes. Structures of the three-component domino reaction adducts, 20 and 21, including their absolute configurations, were confirmed unambiguously by X-ray analysis. Through this work, the absolute configuration of (+)-conicol was thereby elucidated.

  DOI：

  10.1021/ol902840x
• 作为产物：
  描述：

  (6aS,9R,10R,10aS)-9-(dimethoxymethyl)-6,6-dimethyl-10-nitro-6a,9,10,10a-tetrahydrobenzo[c]chromen-2-ol 在 1% Pd/C 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 以72%的产率得到
  参考文献：
  名称：

  Enantioselective Total Synthesis of (+)-Conicol via Cascade Three-Component Organocatalysis

  摘要：

  The first asymmetric total synthesis of (+)-conicol has been achieved via a key step reaction involving the organocatalytic domino oxa-Michael-Michael-Michael-aldol condensation of 2-((E)-2-nitrovinyl)benzene-1,4-diol and alpha,beta-unsaturated aldehydes. Structures of the three-component domino reaction adducts, 20 and 21, including their absolute configurations, were confirmed unambiguously by X-ray analysis. Through this work, the absolute configuration of (+)-conicol was thereby elucidated.

  DOI：

  10.1021/ol902840x